N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide

C16H23N3O3 — CID 108505043

IUPACN-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOCCNC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-13-4-3-5-14(12-13)18-7-9-19(10-8-18)16(21)15(20)17-6-11-22-2/h3-5,12H,6-11H2,1-2H3,(H,17,20)
InChIKeySNPQVZQTPGVRRS-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.41
Rot. Bonds4

About N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide

N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108505043) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108505043
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOCCNC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C16H23N3O3/c1-13-4-3-5-14(12-13)18-7-9-19(10-8-18)16(21)15(20)17-6-11-22-2/h3-5,12H,6-11H2,1-2H3,(H,17,20)
InChIKeySNPQVZQTPGVRRS-UHFFFAOYSA-N
XLogP0.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531247
N-(2-methoxyethyl)-2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108959490
N-(2-methoxyethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108972715
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108986075
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
CID 109045294
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108518394
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531709
methyl 3-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108986079

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108505043) is N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is COCCNC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is SNPQVZQTPGVRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13-4-3-5-14(12-13)18-7-9-19(10-8-18)16(21)15(20)17-6-11-22-2/h3-5,12H,6-11H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 305.38 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108505043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).